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Visualization software for molecular assemblies.

ABSTRACT: Software for viewing three-dimensional models and maps of viruses, ribosomes, filaments, and other molecular assemblies is advancing on many fronts. New developments include molecular representations that offer better control over level of detail, lighting that improves the perception of depth, and two-dimensional projections that simplify data interpretation. Programmable graphics processors offer quality, speed, and visual effects not previously possible, while 3D printers, haptic interaction devices, and auto-stereo displays show promise in more naturally engaging our senses. Visualization methods are developed by diverse groups of researchers with differing goals: experimental biologists, database developers, computer scientists, and package developers. We survey recent developments and problems faced by the developer community in bringing innovative visualization methods into widespread use.

SUBMITTER: Goddard TD

PROVIDER: S-EPMC2174518 | biostudies-literature | 2007 Oct

REPOSITORIES: biostudies-literature

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Visualization software for molecular assemblies.

Goddard Thomas D TD Ferrin Thomas E TE

Current opinion in structural biology 20070828 5

Software for viewing three-dimensional models and maps of viruses, ribosomes, filaments, and other molecular assemblies is advancing on many fronts. New developments include molecular representations that offer better control over level of detail, lighting that improves the perception of depth, and two-dimensional projections that simplify data interpretation. Programmable graphics processors offer quality, speed, and visual effects not previously possible, while 3D printers, haptic interaction ...[more]

PMID: 17728125

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Project description:In order that biological meaning may be derived and testable hypotheses may be built from proteomics experiments, assignments of proteins identified by mass spectrometry or other techniques must be supplemented with additional notation, such as information on known protein functions, protein-protein interactions, or biological pathway associations. Collecting, organizing, and interpreting this data often requires the input of experts in the biological field of study, in addition to the time-consuming search for and compilation of information from online protein databases. Furthermore, visualizing this bulk of information can be challenging due to the limited availability of easy-to-use and freely available tools for this process. In response to these constraints, we have undertaken the design of software to automate annotation and visualization of proteomics data in order to accelerate the pace of research. Here we present the Software Tool for Researching Annotations of Proteins (STRAP), a user-friendly, open-source C# application. STRAP automatically obtains gene ontology (GO) terms associated with proteins in a proteomics results ID list using the freely accessible UniProtKB and EBI GOA databases. Summarized in an easy-to-navigate tabular format, STRAP results include meta-information on the protein in addition to complementary GO terminology. Additionally, this information can be edited by the user so that in-house expertise on particular proteins may be integrated into the larger data set. STRAP provides a sortable tabular view for all terms, as well as graphical representations of GO-term association data in pie charts (biological process, cellular component, and molecular function) and bar charts (cross comparison of sample sets) to aid in the interpretation of large data sets and differential analyses experiments. Furthermore, proteins of interest may be exported as a unique FASTA-formatted file to allow for customizable re-searching of mass spectrometry data, and gene names corresponding to the proteins in the lists may be encoded in the Gaggle microformat for further characterization, including pathway analysis. STRAP, a tutorial, and the C# source code are freely available from http://cpctools.sourceforge.net.

Dataset Information

Visualization software for molecular assemblies.

Publications

Visualization software for molecular assemblies.

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